1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: 1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: 1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-6-(4-methyl-1-piperazin-4-iumyl)-5-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate Formula: C14H19N5O2 MolecularWeight: 289.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC(=C(C=C12)C(=O)[O-])N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=NN(C2=NC(=C(C=C12)C(=O)[O-])N3CC[NH+](CC3)C)C

InChI

InChI=1S/C14H19N5O2/c1-9-10-8-11(14(20)21)13(15-12(10)18(3)16-9)19-6-4-17(2)5-7-19/h8H,4-7H2,1-3H3,(H,20,21)